PM7 Accuracy

p-cresol    791 p-Cresol

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    #  Species Formula
   781 Phenoxy, anionC6H5O
   782 PhenolC6H6O
   783 4-Methyl-3-penten-2-oneC6H10O
   784 CyclohexanoneC6H10O
   785 Methyl neopentyl ketoneC6H12O
   786 Di-isopropyl etherC6H14O
   787 BenzaldehydeC7H6O
   788 AnisoleC7H8O
   789 m-CresolC7H8O
   790 o-CresolC7H8O
   791 p-Cresol C7H8O
   792 2-Methyl-5-hexen-3-yn-2-olC7H10O
   793 2-NorbornanoneC7H10O
   794 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O
   795 Norbornan-7-oneC7H10O
   796 1-Methoxy cyclohexeneC7H12O
   797 Bicyclo[2.2.1]heptan-7-olC7H12O
   798 cis-1,2-EpoxycycloheptaneC7H12O
   799 CycloheptanoneC7H12O
   800 2,4-Dimethyl 3-pentanoneC7H14O
   801 2-Methyl cis-cyclohexanolC7H14O


DHf: -29.9 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
p-Cresol
 H=-29.94 HR=NIST
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.36059043  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39389099  1  122.5653575  1    0.0000000  0     2     1     0
  C     1.39423312  1  118.2521442  1 -179.9833173  1     3     2     1
  C     1.39509425  1  120.6200697  1   -0.0009395  1     4     3     2
  C     1.40138018  1  119.8600855  1   -0.0161784  1     5     4     3
  C     1.38762673  1  120.6532872  1    0.0147620  1     6     5     4
  C     1.49122689  1  120.6895451  1  179.9833420  1     5     4     6
  H     0.98647236  1  112.0694630  1   -0.0070330  1     1     2     3
  H     1.08381459  1  121.1640799  1  179.9942111  1     3     2     4
  H     1.08916061  1  119.3616612  1  179.9957914  1     4     3     5
  H     1.08937471  1  119.6198222  1  179.9975064  1     6     5     7
  H     1.08670989  1  121.8630584  1 -179.9961143  1     7     6     5
  H     1.10001893  1  111.3143869  1  120.5055908  1     8     5     4
  H     1.10003128  1  111.2881107  1  119.6290803  1     8     5    14
  H     1.09784983  1  112.7687765  1  120.1804240  1     8     5    15